A classical molecular dynamics calculation of the vibrational properties (and in particular of the infrared and Raman response) of the Ar1-x(N2)x mixed crystal is presented based on an intermolecular interaction potential including electrostatic terms. The lattice and internal vibration region are discussed separately. The vibrational properties are correlated with the structural properties and with the orientational ordering in the crystals.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics